#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djk n PRO 2 N 0.00 0.65 -0.97 1.61 -0.02 -1.26 -4.56 135.00 130.45 2djk n PRO 2 Ca 0.00 -0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 2djk n PRO 2 Cb 0.00 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 30.70 2djk n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2djk n LEU 3 N 13.93 -0.92 0.00 2.45 4.77 -1.26 -5.10 117.00 130.87 2djk n LEU 3 Ca 0.48 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2djk n LEU 3 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2djk n LEU 3 CO 0.80 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.88 2djk n GLY 4 N -0.02 0.55 3.63 -0.72 0.00 -1.26 -5.07 105.19 102.31 2djk n GLY 4 Ca -0.25 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 2djk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djk s SER 5 N 0.00 4.83 0.34 1.61 0.01 -1.26 -5.02 113.70 114.20 2djk s SER 5 Ca 0.00 -0.11 0.17 0.00 1.31 0.00 0.00 55.95 57.32 2djk s SER 5 Cb 0.00 -1.17 0.49 0.00 0.21 0.00 0.00 66.02 65.55 2djk s SER 5 CO 0.00 0.27 1.64 1.55 0.41 0.00 0.00 173.24 177.11 2djk h PRO 6 N 4.30 0.00 0.00 12.44 0.13 -2.00 -3.39 132.00 143.49 2djk h PRO 6 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2djk h PRO 6 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2djk h PRO 6 CO 0.55 0.43 0.00 1.28 -0.23 0.00 0.00 178.00 180.03 2djk n LEU 7 N -3.44 1.66 -4.00 1.56 4.32 -1.26 -4.81 117.00 111.02 2djk n LEU 7 Ca 0.00 0.17 -0.14 0.00 -0.02 0.00 0.00 56.01 56.03 2djk n LEU 7 Cb 0.58 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.26 2djk n LEU 7 CO 0.38 0.00 -0.40 -0.63 -1.22 0.00 0.00 177.39 175.52 2djk s ILE 8 N -0.34 0.42 -0.86 -0.08 1.09 -1.26 -3.30 121.20 116.87 2djk s ILE 8 Ca 0.00 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2djk s ILE 8 Cb 0.00 -0.44 0.00 0.00 -1.06 0.00 0.00 42.46 40.96 2djk s ILE 8 CO 0.00 -0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.28 2djk n GLY 9 N 2.18 -1.16 3.65 6.18 0.00 -0.83 -4.62 105.19 110.59 2djk n GLY 9 Ca -0.18 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2djk n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djk s GLU 10 N -0.34 4.22 0.19 1.61 2.02 -1.26 -1.07 118.70 124.06 2djk s GLU 10 Ca 0.00 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.54 2djk s GLU 10 Cb 0.00 -3.60 -0.08 0.00 0.10 0.00 0.00 34.13 30.55 2djk s GLU 10 CO 0.00 -0.37 1.02 0.42 0.02 0.00 0.00 175.26 176.35 2djk s ILE 11 N 2.34 4.05 0.01 -1.63 1.01 -0.35 -4.86 121.20 121.76 2djk s ILE 11 Ca 0.34 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.83 2djk s ILE 11 Cb -0.16 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2djk s ILE 11 CO 0.10 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2djk n GLY 12 N 1.86 4.11 0.00 6.18 0.00 -1.26 -4.79 105.19 111.29 2djk n GLY 12 Ca 0.01 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.15 2djk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djk n PRO 13 N -0.02 1.00 -1.17 1.61 -0.04 -1.26 -3.38 135.00 131.74 2djk n PRO 13 Ca -0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2djk n PRO 13 Cb 0.01 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.18 2djk n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2djk n GLU 14 N -0.81 0.00 0.00 0.54 0.28 -1.26 -4.85 120.64 114.55 2djk n GLU 14 Ca 0.15 -1.66 0.00 0.00 -0.16 0.00 0.00 57.16 55.49 2djk n GLU 14 Cb 0.07 -0.16 0.00 0.00 1.43 0.00 0.00 31.44 32.78 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2djk n THR 15 N 0.33 0.00 -0.01 3.84 -2.24 -1.22 -4.72 114.28 110.26 2djk n THR 15 Ca 0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.96 2djk n THR 15 Cb 1.00 -0.61 0.59 0.00 -2.10 0.00 0.00 70.33 69.21 2djk n THR 15 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2djk h TYR 16 N 0.00 0.22 -0.22 4.78 -0.00 -1.89 0.43 116.97 120.29 2djk h TYR 16 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 58.73 58.80 2djk h TYR 16 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.48 2djk h TYR 16 CO 0.00 0.10 0.23 0.77 -0.00 0.00 0.00 178.16 179.26 2djk h SER 17 N 0.20 0.00 0.44 0.10 0.02 -1.91 0.48 113.55 112.88 2djk h SER 17 Ca 0.24 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.88 2djk h SER 17 Cb 0.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2djk h SER 17 CO -0.04 0.00 -1.59 0.44 -1.14 0.00 0.00 176.83 174.50 2djk h ASP 18 N 0.00 0.32 1.39 3.07 3.32 -1.23 -0.99 116.42 122.29 2djk h ASP 18 Ca 0.11 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2djk h ASP 18 Cb 0.57 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2djk h ASP 18 CO -0.00 1.41 0.00 1.88 -1.72 0.00 0.00 179.24 180.81 2djk h TYR 19 N 0.06 0.00 0.01 4.55 0.05 -0.99 0.54 116.97 121.18 2djk h TYR 19 Ca -0.26 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.17 2djk h TYR 19 Cb 2.01 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.69 2djk h TYR 19 CO 0.05 0.00 -2.18 -0.12 -1.05 0.00 0.00 178.16 174.86 2djk n MET 20 N -2.30 0.67 0.00 4.88 1.56 0.15 -4.19 117.12 117.89 2djk n MET 20 Ca 0.05 0.11 0.12 0.00 -0.27 0.00 0.00 57.70 57.71 2djk n MET 20 Cb 0.40 -1.61 0.24 0.00 2.15 0.00 0.00 33.22 34.41 2djk n MET 20 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2djk n SER 21 N -2.91 0.97 0.03 6.12 2.88 -0.38 -4.23 113.62 116.10 2djk n SER 21 Ca -0.29 -0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 56.35 2djk n SER 21 Cb 1.11 0.30 -0.09 0.00 -0.75 0.00 0.00 64.21 64.78 2djk n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djk h ALA 22 N 3.42 -0.10 0.00 -1.46 0.00 -1.05 -3.48 119.26 116.58 2djk h ALA 22 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2djk h ALA 22 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2djk h ALA 22 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.34 2djk n GLY 23 N 0.15 1.69 3.33 0.00 0.00 -1.26 -5.11 105.19 104.00 2djk n GLY 23 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 2djk n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2djk s ILE 24 N -2.00 0.68 0.23 -0.61 -4.36 -1.26 -4.72 121.20 109.15 2djk s ILE 24 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 2djk s ILE 24 Cb 0.00 -2.62 -0.10 0.00 1.25 0.00 0.00 42.46 40.99 2djk s ILE 24 CO 0.00 -0.04 1.44 -2.84 0.24 0.00 0.00 174.94 173.74 2djk s PRO 25 N -4.00 4.28 -0.22 0.37 0.02 -1.25 -3.83 135.00 130.37 2djk s PRO 25 Ca 0.37 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 2djk s PRO 25 Cb 0.08 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 2djk s PRO 25 CO 0.13 -0.42 0.23 -1.17 -0.33 0.00 0.00 177.00 175.44 2djk s LEU 26 N -0.13 4.14 -0.74 -5.54 0.20 0.19 0.00 118.68 116.80 2djk s LEU 26 Ca 0.60 0.26 -0.13 0.00 0.69 0.00 0.00 54.13 55.56 2djk s LEU 26 Cb -0.41 -2.24 0.19 0.00 -0.43 0.00 0.00 46.19 43.30 2djk s LEU 26 CO 0.41 0.04 0.67 0.00 -0.29 0.00 0.00 176.35 177.17 2djk s ALA 27 N 1.03 3.92 -0.14 5.97 0.00 0.13 -0.69 121.76 131.99 2djk s ALA 27 Ca 0.11 -3.15 -0.27 0.00 0.00 0.00 0.00 51.96 48.65 2djk s ALA 27 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2djk s ALA 27 CO 0.05 -2.20 0.92 0.71 0.00 0.00 0.00 175.76 175.24 2djk s TYR 28 N 0.42 3.47 -0.70 0.00 2.02 0.17 -0.70 117.35 122.03 2djk s TYR 28 Ca 0.15 1.43 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 2djk s TYR 28 Cb -0.15 -3.10 0.17 0.00 -0.40 0.00 0.00 41.96 38.48 2djk s TYR 28 CO -0.06 -0.23 0.51 0.42 -1.57 0.00 0.00 175.55 174.62 2djk s ILE 29 N 2.08 3.32 0.35 2.71 1.01 0.10 0.32 121.20 131.08 2djk s ILE 29 Ca 0.43 -3.78 -0.27 0.00 0.00 0.00 0.00 60.65 57.04 2djk s ILE 29 Cb -0.17 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 2djk s ILE 29 CO 0.15 -0.96 1.13 -0.36 0.00 0.00 0.00 174.94 174.90 2djk s PHE 30 N -0.98 3.29 -0.26 3.97 0.40 0.18 -0.17 117.98 124.41 2djk s PHE 30 Ca 0.23 1.61 -0.07 0.00 -0.60 0.00 0.00 56.93 58.09 2djk s PHE 30 Cb -0.12 -3.33 0.12 0.00 0.51 0.00 0.00 43.02 40.20 2djk s PHE 30 CO -0.10 -0.96 0.54 0.00 0.70 0.00 0.00 175.22 175.40 2djk s ALA 31 N -1.34 -1.68 -0.53 5.36 0.00 0.63 0.29 121.76 124.50 2djk s ALA 31 Ca 0.52 1.89 0.22 0.00 0.00 0.00 0.00 51.96 54.58 2djk s ALA 31 Cb -0.30 -1.65 0.94 0.00 0.00 0.00 0.00 23.12 22.10 2djk s ALA 31 CO 0.39 -0.93 1.66 0.39 0.00 0.00 0.00 175.76 177.27 2djk n GLU 32 N 5.42 0.16 -3.50 0.00 1.02 -1.26 -2.38 120.64 120.10 2djk n GLU 32 Ca -0.09 0.42 -0.37 0.00 -0.02 0.00 0.00 57.16 57.11 2djk n GLU 32 Cb 0.49 -1.83 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 2djk n GLU 32 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2djk s THR 33 N -3.30 5.28 -0.27 2.62 -1.32 -1.26 -4.72 115.64 112.68 2djk s THR 33 Ca 0.04 0.62 0.03 0.00 -1.21 0.00 0.00 61.69 61.17 2djk s THR 33 Cb 0.09 -3.67 0.07 0.00 -1.51 0.00 0.00 72.50 67.49 2djk s THR 33 CO 0.35 0.38 1.00 0.00 -2.21 0.00 0.00 174.62 174.14 2djk n ALA 34 N 3.56 2.12 -0.10 11.08 0.00 -1.26 -4.28 120.51 131.62 2djk n ALA 34 Ca -0.11 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.15 2djk n ALA 34 Cb 0.52 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2djk n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2djk n GLU 35 N -0.17 0.44 -0.69 0.00 2.13 -1.26 -4.55 120.64 116.55 2djk n GLU 35 Ca 0.03 0.19 0.06 0.00 0.66 0.00 0.00 57.16 58.10 2djk n GLU 35 Cb 0.26 -1.24 0.32 0.00 0.27 0.00 0.00 31.44 31.05 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2djk n GLU 36 N -3.90 3.99 0.04 5.31 0.00 -1.26 -4.44 120.64 120.38 2djk n GLU 36 Ca -0.41 -2.51 0.20 0.00 0.00 0.00 0.00 57.16 54.44 2djk n GLU 36 Cb 0.79 -2.06 0.73 0.00 0.00 0.00 0.00 31.44 30.90 2djk n GLU 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2djk h ARG 37 N 3.27 0.00 -0.48 3.44 -0.00 -1.80 -0.69 114.38 118.12 2djk h ARG 37 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.03 2djk h ARG 37 Cb 1.61 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.53 2djk h ARG 37 CO 0.36 0.00 0.20 0.87 -0.00 0.00 0.00 179.97 181.40 2djk h LYS 38 N 0.00 0.39 -0.16 0.08 1.79 -1.94 0.22 116.57 116.95 2djk h LYS 38 Ca 0.22 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 2djk h LYS 38 Cb 1.01 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2djk h LYS 38 CO -0.00 0.26 0.08 0.93 -1.08 0.00 0.00 179.45 179.63 2djk h GLU 39 N 0.40 0.23 0.90 3.15 4.39 -1.48 0.40 114.58 122.57 2djk h GLU 39 Ca 0.22 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2djk h GLU 39 Cb 0.18 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2djk h GLU 39 CO -0.19 0.27 -0.46 1.25 -1.16 0.00 0.00 179.01 178.72 2djk h LEU 40 N 0.14 -1.12 -2.40 1.33 7.12 -1.37 -2.37 115.31 116.64 2djk h LEU 40 Ca 0.06 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 2djk h LEU 40 Cb 0.12 0.30 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2djk h LEU 40 CO -0.01 -0.76 -0.03 0.28 -0.13 0.00 0.00 178.44 177.79 2djk h SER 41 N -1.25 0.00 0.58 1.25 0.02 -0.59 -2.51 113.55 111.06 2djk h SER 41 Ca -0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 2djk h SER 41 Cb 0.97 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.51 2djk h SER 41 CO 0.18 0.03 -0.28 -0.78 -1.14 0.00 0.00 176.83 174.84 2djk h ASP 42 N 0.00 -0.66 -0.98 3.07 3.58 0.20 0.55 116.42 122.18 2djk h ASP 42 Ca -0.00 0.02 0.28 0.00 0.42 0.00 0.00 57.03 57.76 2djk h ASP 42 Cb 0.11 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2djk h ASP 42 CO 0.00 -0.43 0.70 0.11 -2.88 0.00 0.00 179.24 176.75 2djk h LYS 43 N -0.87 0.01 0.00 0.28 6.56 -1.25 1.73 116.57 123.02 2djk h LYS 43 Ca -0.08 -0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.44 2djk h LYS 43 Cb 0.60 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2djk h LYS 43 CO 0.13 0.01 -0.32 -0.07 -2.06 0.00 0.00 179.45 177.13 2djk h LEU 44 N 0.01 0.00 -0.78 2.94 3.38 -0.99 -3.18 115.31 116.69 2djk h LEU 44 Ca 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 2djk h LEU 44 Cb 1.86 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2djk h LEU 44 CO -0.01 0.32 0.24 0.11 0.09 0.00 0.00 178.44 179.19 2djk h LYS 45 N 0.00 1.15 0.01 1.13 1.79 0.80 -1.58 116.57 119.87 2djk h LYS 45 Ca -0.00 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 2djk h LYS 45 Cb 1.10 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2djk h LYS 45 CO 0.04 0.97 -0.10 -1.00 -1.08 0.00 0.00 179.45 178.28 2djk h PRO 46 N 1.11 0.06 -0.37 3.15 0.13 -1.60 0.23 132.00 134.71 2djk h PRO 46 Ca 0.24 -0.07 0.11 0.00 -0.87 0.00 0.00 66.00 65.41 2djk h PRO 46 Cb 0.30 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 2djk h PRO 46 CO -0.01 0.89 0.33 0.97 -0.23 0.00 0.00 178.00 179.94 2djk h ILE 47 N -0.73 0.57 0.00 -3.56 6.09 -1.55 0.25 117.51 118.58 2djk h ILE 47 Ca -0.01 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 63.30 2djk h ILE 47 Cb 0.93 0.75 -0.03 0.00 0.47 0.00 0.00 36.82 38.94 2djk h ILE 47 CO 0.02 0.00 -1.60 0.00 -3.07 0.00 0.00 178.15 173.50 2djk n ALA 48 N -2.46 1.96 0.29 0.18 0.00 -0.60 -3.40 120.51 116.48 2djk n ALA 48 Ca 0.06 -0.64 0.18 0.00 0.00 0.00 0.00 53.44 53.03 2djk n ALA 48 Cb 0.50 -0.84 0.96 0.00 0.00 0.00 0.00 19.45 20.08 2djk n ALA 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2djk h GLU 49 N 0.00 0.00 0.00 0.00 4.81 0.29 2.65 114.58 122.33 2djk h GLU 49 Ca -0.20 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.81 2djk h GLU 49 Cb 1.61 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.95 2djk h GLU 49 CO 0.04 0.00 -1.60 0.00 -0.73 0.00 0.00 179.01 176.72 2djk n ALA 50 N -2.24 1.75 -2.59 2.92 0.00 -0.90 -4.34 120.51 115.11 2djk n ALA 50 Ca -0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 53.44 52.56 2djk n ALA 50 Cb 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 18.75 2djk n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2djk n GLN 51 N -2.93 2.34 0.08 0.00 10.64 0.91 -4.82 117.38 123.59 2djk n GLN 51 Ca -0.14 -3.93 -0.03 0.00 -1.83 0.00 0.00 57.00 51.07 2djk n GLN 51 Cb 0.94 -1.78 -0.07 0.00 -0.86 0.00 0.00 30.24 28.46 2djk n GLN 51 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2djk h ARG 52 N 2.79 0.00 -0.29 2.61 0.11 0.42 -2.68 114.38 117.34 2djk h ARG 52 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2djk h ARG 52 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 2djk h ARG 52 CO 0.68 0.73 0.00 0.41 0.10 0.00 0.00 179.97 181.90 2djk n GLY 53 N 1.33 3.32 0.12 0.08 0.00 -1.26 -4.56 105.19 104.23 2djk n GLY 53 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2djk n GLY 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djk n VAL 54 N 0.02 0.00 -4.69 1.61 3.14 -1.24 -5.05 118.33 112.11 2djk n VAL 54 Ca 0.15 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.19 2djk n VAL 54 Cb 0.60 -0.52 -0.12 0.00 -1.06 0.00 0.00 33.84 32.74 2djk n VAL 54 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2djk s ILE 55 N -1.86 3.54 -1.06 1.55 1.01 -1.01 -3.83 121.20 119.54 2djk s ILE 55 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 2djk s ILE 55 Cb 0.00 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 40.10 2djk s ILE 55 CO 0.00 0.59 1.45 0.20 0.00 0.00 0.00 174.94 177.18 2djk s ASN 56 N -0.75 6.60 -0.59 3.58 0.01 0.10 -4.64 114.94 119.25 2djk s ASN 56 Ca 0.11 -1.76 -0.27 0.00 -0.71 0.00 0.00 52.86 50.23 2djk s ASN 56 Cb -0.11 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 2djk s ASN 56 CO 0.01 -1.36 1.60 -0.36 -1.51 0.00 0.00 177.10 175.49 2djk s PHE 57 N 4.39 2.00 -0.05 2.20 0.40 -1.21 0.17 117.98 125.87 2djk s PHE 57 Ca 0.45 0.53 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 2djk s PHE 57 Cb -0.00 -4.29 0.02 0.00 0.51 0.00 0.00 43.02 39.26 2djk s PHE 57 CO -0.07 -2.21 -0.09 0.20 0.70 0.00 0.00 175.22 173.75 2djk s GLY 58 N 5.89 0.63 0.05 4.36 0.00 0.12 -1.96 107.32 116.42 2djk s GLY 58 Ca 0.58 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.88 2djk s GLY 58 CO 0.23 0.23 0.50 -0.51 0.00 0.00 0.00 173.10 173.54 2djk s THR 59 N 0.72 4.88 0.12 0.90 -4.23 -0.23 0.01 115.64 117.80 2djk s THR 59 Ca -0.13 1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2djk s THR 59 Cb -0.15 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 2djk s THR 59 CO 0.02 0.52 0.01 -0.51 -0.54 0.00 0.00 174.62 174.12 2djk s ILE 60 N -1.15 0.32 -0.27 2.99 2.07 0.76 -1.21 121.20 124.70 2djk s ILE 60 Ca 0.28 -1.90 -0.22 0.00 -1.41 0.00 0.00 60.65 57.40 2djk s ILE 60 Cb -0.18 -1.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.51 2djk s ILE 60 CO 0.17 -0.64 0.70 -0.62 -1.91 0.00 0.00 174.94 172.63 2djk s ASP 61 N -3.04 6.62 0.00 4.50 2.15 -1.26 -0.27 116.67 125.37 2djk s ASP 61 Ca 0.19 0.69 0.24 0.00 0.43 0.00 0.00 52.55 54.10 2djk s ASP 61 Cb 0.07 -2.37 1.27 0.00 -0.30 0.00 0.00 42.92 41.59 2djk s ASP 61 CO -0.01 -0.47 1.84 0.00 -0.17 0.00 0.00 175.17 176.35 2djk n ALA 62 N 5.90 2.61 -0.09 3.66 0.00 -1.00 -0.44 120.51 131.15 2djk n ALA 62 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 2djk n ALA 62 Cb 0.48 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 2djk n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2djk n LYS 63 N -0.57 1.05 -0.03 0.00 4.81 -1.26 -3.73 118.16 118.43 2djk n LYS 63 Ca 0.18 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.61 2djk n LYS 63 Cb 0.15 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 2djk n LYS 63 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2djk n ALA 64 N -2.76 1.86 0.69 3.14 0.00 -1.23 -4.64 120.51 117.56 2djk n ALA 64 Ca -0.31 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 52.83 2djk n ALA 64 Cb 1.02 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.49 2djk n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2djk n PHE 65 N -2.21 0.00 -0.43 0.00 -0.00 0.41 -4.61 117.46 110.62 2djk n PHE 65 Ca -0.10 0.00 0.36 0.00 -0.00 0.00 0.00 57.45 57.71 2djk n PHE 65 Cb 0.69 -0.05 0.58 0.00 -0.00 0.00 0.00 39.48 40.70 2djk n PHE 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2djk n GLY 66 N 1.41 -0.72 0.36 7.13 0.00 -0.07 0.24 105.19 113.55 2djk n GLY 66 Ca 0.02 0.61 0.18 0.00 0.00 0.00 0.00 46.02 46.84 2djk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djk h ALA 67 N 1.18 1.80 0.00 4.61 0.00 -1.87 0.94 119.26 125.93 2djk h ALA 67 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2djk h ALA 67 Cb 2.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.31 2djk h ALA 67 CO -0.29 -0.44 -0.46 0.72 0.00 0.00 0.00 179.25 178.78 2djk n HIS 68 N -3.55 0.05 -0.04 0.00 -0.00 0.67 -3.45 115.22 108.90 2djk n HIS 68 Ca 0.03 0.01 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 2djk n HIS 68 Cb 0.45 -0.31 -0.08 0.00 -0.00 0.00 0.00 29.99 30.04 2djk n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2djk h ALA 69 N 2.96 0.21 -0.14 -1.41 0.00 0.89 -3.30 119.26 118.46 2djk h ALA 69 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2djk h ALA 69 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2djk h ALA 69 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2djk n GLY 70 N 0.58 1.20 0.00 0.00 0.00 -1.21 -3.93 105.19 101.83 2djk n GLY 70 Ca -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.25 2djk n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2djk n ASN 71 N 1.37 0.00 -0.00 1.61 5.03 -1.22 -0.55 115.26 121.49 2djk n ASN 71 Ca 0.16 0.47 0.02 0.00 0.87 0.00 0.00 54.58 56.09 2djk n ASN 71 Cb 0.60 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 2djk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2djk n LEU 72 N -1.47 0.08 0.00 3.41 -0.00 -1.26 -5.02 117.00 112.74 2djk n LEU 72 Ca 0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2djk n LEU 72 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2djk n LEU 72 CO 0.02 0.02 0.00 0.59 -0.00 0.00 0.00 177.39 178.02 2djk n ASN 73 N -1.38 -0.02 -3.97 1.45 5.03 0.28 -4.76 115.26 111.89 2djk n ASN 73 Ca -0.00 0.02 -0.30 0.00 0.87 0.00 0.00 54.58 55.18 2djk n ASN 73 Cb 0.08 0.10 0.06 0.00 -1.02 0.00 0.00 39.78 39.00 2djk n ASN 73 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2djk n LEU 74 N -1.68 -2.61 -0.00 3.41 4.77 -1.23 -4.83 117.00 114.83 2djk n LEU 74 Ca 0.00 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 2djk n LEU 74 Cb 0.00 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 2djk n LEU 74 CO 0.00 -2.57 -0.43 2.29 -1.33 0.00 0.00 177.39 175.36 2djk n LYS 75 N 1.34 1.41 -2.43 3.23 -0.00 -1.26 -3.99 118.16 116.45 2djk n LYS 75 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.23 2djk n LYS 75 Cb 0.58 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 34.45 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2djk n THR 76 N -1.66 -0.09 -0.12 0.58 -2.24 -1.26 -4.86 114.28 104.63 2djk n THR 76 Ca -0.01 -0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 2djk n THR 76 Cb 0.24 -1.75 -0.11 0.00 -2.10 0.00 0.00 70.33 66.60 2djk n THR 76 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2djk n ASP 77 N 0.92 1.89 -4.24 3.42 8.00 -1.26 -5.00 116.55 120.29 2djk n ASP 77 Ca -0.00 0.40 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 2djk n ASP 77 Cb 0.50 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 2djk n ASP 77 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2djk s LYS 78 N -2.41 1.05 0.30 -1.24 2.20 -1.26 -5.17 119.74 113.21 2djk s LYS 78 Ca -0.32 -1.47 -0.15 0.00 -0.36 0.00 0.00 55.97 53.67 2djk s LYS 78 Cb 0.09 -0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.00 2djk s LYS 78 CO 0.55 -0.02 0.64 -0.06 -0.36 0.00 0.00 175.35 176.11 2djk s PHE 79 N -3.50 0.18 1.03 4.03 0.40 -1.26 -4.53 117.98 114.33 2djk s PHE 79 Ca 0.19 -0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 2djk s PHE 79 Cb 0.04 0.51 0.19 0.00 0.51 0.00 0.00 43.02 44.28 2djk s PHE 79 CO 0.01 -1.25 0.98 -2.30 0.70 0.00 0.00 175.22 173.37 2djk n PRO 80 N -0.47 -1.26 -4.27 0.24 -0.02 -1.26 -4.79 135.00 123.16 2djk n PRO 80 Ca -0.04 -0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 60.97 2djk n PRO 80 Cb 0.60 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 2djk n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2djk s ALA 81 N -2.51 1.52 -0.03 3.55 0.00 0.15 -4.69 121.76 119.74 2djk s ALA 81 Ca 0.66 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2djk s ALA 81 Cb -0.23 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2djk s ALA 81 CO 0.62 -0.20 0.02 0.12 0.00 0.00 0.00 175.76 176.32 2djk s PHE 82 N -3.44 0.22 -0.16 0.00 5.36 -1.26 0.49 117.98 119.19 2djk s PHE 82 Ca 0.22 0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 2djk s PHE 82 Cb 0.04 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 2djk s PHE 82 CO 0.04 -0.14 -0.17 0.00 -1.46 0.00 0.00 175.22 173.49 2djk s ALA 83 N 1.25 2.03 -0.64 11.12 0.00 0.15 0.23 121.76 135.90 2djk s ALA 83 Ca -0.07 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 2djk s ALA 83 Cb -0.13 -1.08 0.16 0.00 0.00 0.00 0.00 23.12 22.07 2djk s ALA 83 CO -0.02 -0.34 0.55 0.42 0.00 0.00 0.00 175.76 176.36 2djk s ILE 84 N 1.37 4.89 0.11 0.00 1.01 -0.95 0.41 121.20 128.04 2djk s ILE 84 Ca 0.04 -2.13 -0.19 0.00 0.00 0.00 0.00 60.65 58.37 2djk s ILE 84 Cb -0.13 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2djk s ILE 84 CO -0.11 -0.90 0.60 -1.58 0.00 0.00 0.00 174.94 172.95 2djk s GLN 85 N 0.79 4.20 -0.35 2.79 0.74 0.14 0.23 119.66 128.20 2djk s GLN 85 Ca 0.11 0.74 -0.08 0.00 0.05 0.00 0.00 55.36 56.18 2djk s GLN 85 Cb -0.21 -3.15 0.03 0.00 1.10 0.00 0.00 33.01 30.79 2djk s GLN 85 CO -0.03 0.58 0.13 -1.21 -0.55 0.00 0.00 175.29 174.21 2djk s GLU 86 N -1.36 2.70 0.00 1.67 0.41 -0.95 0.54 118.70 121.71 2djk s GLU 86 Ca 0.33 -1.14 0.31 0.00 -0.41 0.00 0.00 54.97 54.06 2djk s GLU 86 Cb -0.19 -3.54 1.83 0.00 -1.78 0.00 0.00 34.13 30.46 2djk s GLU 86 CO 0.20 -0.67 2.18 0.28 -0.49 0.00 0.00 175.26 176.76 2djk n VAL 87 N 4.87 0.00 -0.07 2.63 0.31 -1.25 0.11 118.33 124.93 2djk n VAL 87 Ca -0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.99 2djk n VAL 87 Cb 0.45 -0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2djk n ALA 88 N -1.03 1.04 0.18 3.52 0.00 -1.26 -4.59 120.51 118.36 2djk n ALA 88 Ca 0.22 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.92 2djk n ALA 88 Cb 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 2djk n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2djk n LYS 89 N -3.69 4.65 -2.41 0.00 5.02 -1.22 -5.03 118.16 115.47 2djk n LYS 89 Ca -0.38 -0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 55.69 2djk n LYS 89 Cb 0.95 -0.75 0.04 0.00 -0.02 0.00 0.00 35.03 35.24 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2djk n ASN 90 N -0.85 -4.43 -4.84 4.39 4.05 0.30 -5.04 115.26 108.84 2djk n ASN 90 Ca 0.01 -0.37 -0.30 0.00 0.45 0.00 0.00 54.58 54.37 2djk n ASN 90 Cb 0.07 -2.96 -0.04 0.00 1.23 0.00 0.00 39.78 38.08 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2djk s GLN 91 N -3.72 2.23 -0.35 1.20 2.00 -1.05 -4.90 119.66 115.07 2djk s GLN 91 Ca 0.24 -2.23 0.01 0.00 -2.00 0.00 0.00 55.36 51.38 2djk s GLN 91 Cb -0.03 -1.82 0.14 0.00 0.80 0.00 0.00 33.01 32.11 2djk s GLN 91 CO 0.39 -0.52 0.30 0.15 -0.50 0.00 0.00 175.29 175.10 2djk s LYS 92 N -4.10 0.54 -0.95 1.67 3.01 -1.26 -2.24 119.74 116.41 2djk s LYS 92 Ca 0.19 -0.89 -0.02 0.00 -1.01 0.00 0.00 55.97 54.24 2djk s LYS 92 Cb -0.01 -0.92 0.28 0.00 -1.01 0.00 0.00 37.83 36.17 2djk s LYS 92 CO 0.12 -1.17 1.19 1.19 0.51 0.00 0.00 175.35 177.18 2djk n PHE 93 N 4.39 3.08 -1.69 3.18 3.72 0.14 -4.50 117.46 125.78 2djk n PHE 93 Ca 0.09 -3.27 -0.20 0.00 -0.05 0.00 0.00 57.45 54.01 2djk n PHE 93 Cb 0.43 -1.10 0.14 0.00 -0.94 0.00 0.00 39.48 38.01 2djk n PHE 93 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2djk n PRO 94 N 1.42 -0.84 -3.93 -1.08 -0.04 -1.26 -2.23 135.00 127.03 2djk n PRO 94 Ca 0.26 -1.45 -0.26 0.00 -0.04 0.00 0.00 63.50 62.02 2djk n PRO 94 Cb 0.36 -0.92 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 2djk n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2djk s PHE 95 N -2.96 1.95 0.97 0.54 5.36 0.63 -4.82 117.98 119.65 2djk s PHE 95 Ca 0.52 -0.76 -0.16 0.00 -0.96 0.00 0.00 56.93 55.57 2djk s PHE 95 Cb -0.01 -1.94 0.19 0.00 -0.34 0.00 0.00 43.02 40.92 2djk s PHE 95 CO 0.36 -0.28 1.28 -0.51 -1.46 0.00 0.00 175.22 174.62 2djk s ASP 96 N -4.17 3.05 -0.01 6.13 1.11 -1.26 -4.52 116.67 116.99 2djk s ASP 96 Ca 0.35 0.37 0.06 0.00 0.18 0.00 0.00 52.55 53.52 2djk s ASP 96 Cb -0.01 -0.50 -0.09 0.00 1.07 0.00 0.00 42.92 43.39 2djk s ASP 96 CO 0.21 -2.78 0.15 0.00 1.18 0.00 0.00 175.17 173.93 2djk n GLN 97 N -3.82 0.62 -0.15 8.23 6.02 -1.26 -4.59 117.38 122.43 2djk n GLN 97 Ca 0.14 -0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.12 2djk n GLN 97 Cb 0.60 -1.11 0.06 0.00 1.02 0.00 0.00 30.24 30.81 2djk n GLN 97 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2djk n GLU 98 N -1.66 1.17 0.05 -1.09 0.28 -1.26 -4.44 120.64 113.68 2djk n GLU 98 Ca -0.01 -1.75 0.12 0.00 -0.16 0.00 0.00 57.16 55.36 2djk n GLU 98 Cb 0.15 -1.05 0.12 0.00 1.43 0.00 0.00 31.44 32.10 2djk n GLU 98 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2djk n LYS 99 N -0.74 0.28 -0.50 3.44 3.00 -1.26 -5.04 118.16 117.34 2djk n LYS 99 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2djk n LYS 99 Cb 0.56 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.95 2djk n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2djk n GLU 100 N -2.03 0.00 -2.99 1.64 2.13 -1.26 -4.97 120.64 113.16 2djk n GLU 100 Ca 0.03 0.28 -0.44 0.00 0.66 0.00 0.00 57.16 57.69 2djk n GLU 100 Cb 0.43 -0.22 -0.04 0.00 0.27 0.00 0.00 31.44 31.89 2djk n GLU 100 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2djk s ILE 101 N 0.00 4.69 0.00 6.31 1.01 -1.26 -4.86 121.20 127.09 2djk s ILE 101 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2djk s ILE 101 Cb 0.00 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.84 2djk s ILE 101 CO 0.00 -1.33 0.00 0.35 0.00 0.00 0.00 174.94 173.96 2djk n THR 102 N 5.55 0.00 0.00 2.92 -2.24 -1.26 -4.87 114.28 114.38 2djk n THR 102 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2djk n THR 102 Cb 0.46 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2djk n THR 102 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2djk n PHE 103 N 0.00 0.00 -0.52 4.78 7.35 -1.26 -3.05 117.46 124.76 2djk n PHE 103 Ca 0.00 0.00 0.43 0.00 -0.76 0.00 0.00 57.45 57.12 2djk n PHE 103 Cb 0.00 -0.11 0.73 0.00 0.35 0.00 0.00 39.48 40.46 2djk n PHE 103 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2djk h GLU 104 N 0.00 0.05 0.03 -4.13 4.22 -1.97 1.23 114.58 114.02 2djk h GLU 104 Ca 0.00 -0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.19 2djk h GLU 104 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2djk h GLU 104 CO 0.00 0.03 -1.04 0.00 -2.18 0.00 0.00 179.01 175.82 2djk h ALA 105 N 1.34 0.24 0.01 2.92 0.00 -1.91 -1.86 119.26 120.00 2djk h ALA 105 Ca 0.81 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2djk h ALA 105 Cb 2.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.73 2djk h ALA 105 CO -0.18 0.79 -1.06 0.82 0.00 0.00 0.00 179.25 179.61 2djk h ILE 106 N 0.25 1.08 -0.45 0.00 1.08 0.67 -2.26 117.51 117.88 2djk h ILE 106 Ca -0.11 -2.24 0.08 0.00 -0.39 0.00 0.00 64.86 62.21 2djk h ILE 106 Cb 1.69 2.50 -0.07 0.00 -3.07 0.00 0.00 36.82 37.86 2djk h ILE 106 CO 0.19 0.42 0.01 0.07 -0.69 0.00 0.00 178.15 178.15 2djk h LYS 107 N -0.90 0.12 0.14 2.37 2.10 0.94 0.40 116.57 121.75 2djk h LYS 107 Ca -0.28 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 2djk h LYS 107 Cb 1.31 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2djk h LYS 107 CO -0.14 0.08 -0.07 0.00 -2.00 0.00 0.00 179.45 177.33 2djk h ALA 108 N 1.40 -0.19 0.04 0.07 0.00 -1.46 0.26 119.26 119.38 2djk h ALA 108 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2djk h ALA 108 Cb 0.33 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2djk h ALA 108 CO -0.37 -0.46 -0.37 0.35 0.00 0.00 0.00 179.25 178.40 2djk h PHE 109 N -0.48 -1.09 -0.68 0.00 3.04 -0.83 0.40 116.94 117.29 2djk h PHE 109 Ca -0.02 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.08 2djk h PHE 109 Cb 0.38 0.47 -0.08 0.00 2.56 0.00 0.00 35.95 39.28 2djk h PHE 109 CO 0.02 -0.41 0.26 -0.39 -2.02 0.00 0.00 178.31 175.77 2djk h VAL 110 N -0.50 0.72 -0.99 1.41 -1.51 -0.27 0.32 116.25 115.43 2djk h VAL 110 Ca 0.00 -0.15 0.17 0.00 -1.23 0.00 0.00 66.70 65.49 2djk h VAL 110 Cb 0.52 0.25 -0.10 0.00 -2.13 0.00 0.00 31.29 29.83 2djk h VAL 110 CO -0.23 0.08 0.60 -0.78 -1.23 0.00 0.00 177.57 176.01 2djk h ASP 111 N 0.44 0.79 -0.35 4.19 1.82 0.03 1.35 116.42 124.68 2djk h ASP 111 Ca 0.36 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 2djk h ASP 111 Cb 0.49 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 2djk h ASP 111 CO -0.35 0.32 0.18 -0.78 -1.61 0.00 0.00 179.24 177.00 2djk h ASP 112 N 0.80 0.48 0.13 2.28 3.58 0.36 0.40 116.42 124.44 2djk h ASP 112 Ca 0.55 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.95 2djk h ASP 112 Cb 0.78 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2djk h ASP 112 CO -0.36 0.42 -0.06 0.15 -2.88 0.00 0.00 179.24 176.51 2djk h PHE 113 N 0.54 -0.16 -0.67 0.28 3.57 0.26 3.49 116.94 124.25 2djk h PHE 113 Ca 0.14 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2djk h PHE 113 Cb 0.07 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 2djk h PHE 113 CO 0.00 -0.10 0.33 -0.24 -2.23 0.00 0.00 178.31 176.07 2djk h VAL 114 N -0.40 0.86 -0.66 1.41 3.04 -0.06 -1.12 116.25 119.33 2djk h VAL 114 Ca -0.02 -0.20 0.04 0.00 -1.01 0.00 0.00 66.70 65.52 2djk h VAL 114 Cb 0.13 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 29.61 2djk h VAL 114 CO 0.03 0.10 0.43 0.00 -1.01 0.00 0.00 177.57 177.13 2djk h ALA 115 N 1.40 1.68 0.00 3.17 0.00 -0.34 -3.46 119.26 121.72 2djk h ALA 115 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2djk h ALA 115 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2djk h ALA 115 CO -0.25 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2djk n GLY 116 N -1.45 1.72 0.32 0.00 0.00 -0.42 -5.06 105.19 100.30 2djk n GLY 116 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2djk n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2djk n LYS 117 N -0.19 0.44 -0.96 1.61 4.81 1.08 -5.00 118.16 119.94 2djk n LYS 117 Ca 0.00 0.19 -0.31 0.00 -0.87 0.00 0.00 58.31 57.31 2djk n LYS 117 Cb 0.00 -1.25 0.13 0.00 0.02 0.00 0.00 35.03 33.93 2djk n LYS 117 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2djk s ILE 118 N -2.52 2.44 0.04 3.15 1.01 0.33 -4.90 121.20 120.74 2djk s ILE 118 Ca -0.27 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2djk s ILE 118 Cb 0.08 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2djk s ILE 118 CO 0.36 -0.18 0.18 -1.83 0.00 0.00 0.00 174.94 173.48 2djk s GLU 119 N -4.61 0.66 -0.68 2.79 -1.05 -1.26 -4.81 118.70 109.74 2djk s GLU 119 Ca 0.66 -0.62 -0.38 0.00 -0.15 0.00 0.00 54.97 54.49 2djk s GLU 119 Cb -0.22 0.27 -0.19 0.00 -0.44 0.00 0.00 34.13 33.55 2djk s GLU 119 CO 0.55 -0.19 2.37 -2.30 0.95 0.00 0.00 175.26 176.65 2djk n PRO 120 N 0.77 0.10 -0.08 -4.83 -0.01 -1.26 -4.81 135.00 124.87 2djk n PRO 120 Ca -0.19 0.02 -0.11 0.00 -0.01 0.00 0.00 63.50 63.21 2djk n PRO 120 Cb 0.58 -1.62 -0.04 0.00 -0.01 0.00 0.00 33.50 32.42 2djk n PRO 120 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 175.50 176.26 2djk h SER 121 N 10.66 0.43 -5.05 2.55 0.02 -1.99 -3.47 113.55 116.71 2djk h SER 121 Ca -0.10 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 2djk h SER 121 Cb 1.37 -0.12 -0.13 0.00 0.14 0.00 0.00 62.40 63.66 2djk h SER 121 CO 1.20 0.63 -0.00 0.27 -1.14 0.00 0.00 176.83 177.79 2djk s ILE 122 N -5.00 0.05 0.00 3.27 -4.36 -1.26 -5.06 121.20 108.83 2djk s ILE 122 Ca -0.14 -0.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 2djk s ILE 122 Cb 0.07 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.68 2djk s ILE 122 CO 0.75 -0.23 0.00 1.17 0.24 0.00 0.00 174.94 176.87 2djk n LYS 123 N -0.17 0.00 -4.58 0.37 0.00 -1.26 -4.91 118.16 107.60 2djk n LYS 123 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.88 2djk n LYS 123 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.57 2djk n LYS 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2djk s SER 124 N 0.00 3.32 -0.41 3.14 1.04 -1.26 -5.12 113.70 114.41 2djk s SER 124 Ca 0.00 -1.47 0.04 0.00 0.48 0.00 0.00 55.95 55.00 2djk s SER 124 Cb 0.00 -0.00 0.17 0.00 0.10 0.00 0.00 66.02 66.28 2djk s SER 124 CO 0.00 -0.64 0.43 -1.61 0.98 0.00 0.00 173.24 172.39 2djk s GLU 125 N -3.80 0.80 0.51 4.02 2.02 -1.26 -5.15 118.70 115.84 2djk s GLU 125 Ca 0.28 -1.31 -0.17 0.00 0.02 0.00 0.00 54.97 53.79 2djk s GLU 125 Cb 0.07 -0.83 -0.08 0.00 0.10 0.00 0.00 34.13 33.39 2djk s GLU 125 CO 0.14 -1.28 0.98 -1.25 0.02 0.00 0.00 175.26 173.86 2djk s PRO 126 N 0.88 3.97 -0.43 0.39 0.04 -1.26 -5.06 135.00 133.53 2djk s PRO 126 Ca 0.24 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.29 2djk s PRO 126 Cb -0.07 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.50 2djk s PRO 126 CO -0.08 -0.25 0.44 0.96 0.04 0.00 0.00 177.00 178.11 2djk s ILE 127 N -2.59 -0.13 1.08 0.56 -5.25 -1.26 -5.15 121.20 108.47 2djk s ILE 127 Ca 0.59 -1.92 -0.18 0.00 -0.99 0.00 0.00 60.65 58.15 2djk s ILE 127 Cb -0.10 -0.83 0.27 0.00 2.95 0.00 0.00 42.46 44.76 2djk s ILE 127 CO 0.30 -0.80 0.82 -0.81 -1.79 0.00 0.00 174.94 172.66 2djk n PRO 128 N 3.13 -3.38 -1.48 0.37 -0.04 -1.26 -4.91 135.00 127.43 2djk n PRO 128 Ca 0.23 -1.34 -0.29 0.00 -0.04 0.00 0.00 63.50 62.06 2djk n PRO 128 Cb 0.49 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2djk n PRO 128 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2djk n GLU 129 N -4.58 2.42 -3.09 0.54 4.71 -1.26 -4.90 120.64 114.49 2djk n GLU 129 Ca 0.12 -2.62 0.00 0.00 -0.01 0.00 0.00 57.16 54.65 2djk n GLU 129 Cb 0.49 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 2djk n GLU 129 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2djk n LYS 130 N 0.24 -1.36 -3.79 3.49 4.76 -1.26 -5.18 118.16 115.06 2djk n LYS 130 Ca 0.49 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.72 2djk n LYS 130 Cb 0.49 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.64 2djk n LYS 130 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2djk s GLN 131 N -0.43 2.71 0.25 1.97 -1.52 -1.26 -5.10 119.66 116.29 2djk s GLN 131 Ca 0.00 -1.31 0.09 0.00 -1.95 0.00 0.00 55.36 52.19 2djk s GLN 131 Cb 0.00 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.28 2djk s GLN 131 CO 0.00 0.07 -0.03 -2.00 -0.25 0.00 0.00 175.29 173.08 2djk s GLU 132 N -4.01 2.22 0.00 2.91 2.56 -1.26 -5.14 118.70 115.99 2djk s GLU 132 Ca 0.41 -1.39 0.28 0.00 0.00 0.00 0.00 54.97 54.28 2djk s GLU 132 Cb -0.06 -2.15 1.16 0.00 2.00 0.00 0.00 34.13 35.08 2djk s GLU 132 CO 0.27 0.38 1.80 0.41 -0.56 0.00 0.00 175.26 177.56